Physicochemical Properties
| Exact Mass | 504.169 |
| CAS # | 9012-72-0 |
| PubChem CID | 71312131 |
| Appearance | White to off-white solid |
| Density | 1.8±0.1 g/cm3 |
| Boiling Point | 865.2±65.0 °C at 760 mmHg |
| Flash Point | 477.0±34.3 °C |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.673 |
| LogP | -3.25 |
| Hydrogen Bond Donor Count | 9 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 7 |
| Heavy Atom Count | 32 |
| Complexity | 582 |
| Defined Atom Stereocenter Count | 13 |
| SMILES | O1[C@]([H])([C@@]([H])([C@]([H])(C([H])([C@@]1([H])C([H])([H])O[H])O[C@@]1([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O1)O[H])O[H])O[H])O[H])O[H])OC1([H])[C@@]([H])(C([H])([H])O[H])O[C@@]([H])([C@@]([H])([C@@]1([H])O[H])O[H])O[H] |
| InChi Key | SPMCUTIDVYCGCK-IIIGWGBSSA-N |
| InChi Code | InChI=1S/C18H32O14/c19-2-9-6(22)1-7(23)17(29-9)32-16-13(26)11(4-21)30-18(14(16)27)31-15-8(24)5-28-10(3-20)12(15)25/h6-27H,1-5H2/t6-,7+,8-,9+,10+,11+,12+,13+,14+,15+,16-,17-,18-/m0/s1 |
| Chemical Name | (2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5S)-3,5-dihydroxy-2-(hydroxymethyl)oxan-4-yl]oxy-4-[(2S,3R,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,5-diol |
| HS Tariff Code | 2934.99.9001 |
| Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
| ln Vitro | A new fungal surrogate marker, (1–3)-β-D glucan, offers a noninvasive method for the potential surveillance and diagnosis of invasive fungal infections. Invasive fungal infections have long been associated with significantly high morbidity and mortality on hematology-oncology wards and recipients of either solid-organ or hematopoietic stem cell transplantation. The diagnoses of invasive fungal infections have historically been made difficult by the need for invasive methods. (1–3)-β-D-glucan testing requires a minimally invasive sample that can be used to aid in the diagnosis of an invasive fungal infection as well as monitor the response to treatment. One disadvantage of (1–3)-β-D-glucan testing is that a positive test alone lacks sufficient sensitivity and specificity for a definitive diagnosis. While formal guidelines for the use of (1–3)-β-D-glucan testing are lacking, this chromogenic assay provides a new opportunity for testing at-risk populations. A review and recommendation for its laboratory and clinical application are provided. |
| ln Vivo | While incorporated within the fungal cell wall (1–3)-β-D-glucan typically exists as an insoluble structure. In the presence of blood or other body fluids, (1–3)-β-D-glucan transforms into single helix, triple helix (most common), or random coil forms and are rendered soluble. This soluble (1–3)-β-D-glucan may be capable of modulating the immune system by inhibiting leukocyte phagocytosis. Details regarding the release and kinetics of soluble (1–3)-β-D-glucan in the systemic circulation or body fluids of patients with proven or probable invasive fungal infections is limited. |
| References | [1]. Laboratory Medicine, Volume 42, Issue 11, November 2011, Pages 679–685, https://doi.org/10.1309/LM8BW8QNV7NZBROG |
| Additional Infomation | beta Glucan has been reported in Avena sativa with data available. |
Solubility Data
| Solubility (In Vitro) |
DMSO: ~100 mg/mL H2O: ~20 mg/mL |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (Infinity mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (Infinity mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (Infinity mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |